3W5D

Crystal structure of the calcium pump in the E2+Pi state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 41 21 2
Unit cell lengths	71.248, 71.248, 587.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.450
R-factor	0.24258
Rwork	0.241
R-free	0.27126
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.195
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.520
High resolution limit [Å]	2.450	2.450
Number of reflections	57736
Completeness [%]	99.5	98.4
Redundancy		6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1